3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one

C26H22ClNO4 — CID 68958008

IUPAC3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one
SMILESCC(=O)c1ccc(OCCOc2c(-c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H22ClNO4/c1-17(29)18-9-13-21(14-10-18)31-15-16-32-26-24(19-7-11-20(27)12-8-19)28(2)23-6-4-3-5-22(23)25(26)30/h3-14H,15-16H2,1-2H3
InChIKeyNRLJEULTRCZIRX-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.52
Rot. Bonds7

About 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one

3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one (PubChem CID 68958008) has the molecular formula C26H22ClNO4 and a molecular weight of 447.92 g/mol. Its IUPAC name is 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one
PubChem CID68958008
Molecular FormulaC26H22ClNO4
Molecular Weight447.92 g/mol
Exact Mass447.12
IUPAC Name3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one
SMILESCC(=O)c1ccc(OCCOc2c(-c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H22ClNO4/c1-17(29)18-9-13-21(14-10-18)31-15-16-32-26-24(19-7-11-20(27)12-8-19)28(2)23-6-4-3-5-22(23)25(26)30/h3-14H,15-16H2,1-2H3
InChIKeyNRLJEULTRCZIRX-UHFFFAOYSA-N
XLogP5.52
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91091400
3-[2-(3-acetylphenoxy)ethoxy]-2-(3,4-difluorophenyl)-1-methylquinolin-4-one
CID 68961982
(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidine-2,4-dione
CID 11364566
3-[2-(4-acetyl-2-chlorophenoxy)ethoxy]-7-chloro-2-(3,4-difluorophenyl)-1-methylquinolin-4-one
CID 68955924
2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
CID 11703927
5-[[4-[2-[1-methyl-2-(4-methylphenyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73100648
(5E)-5-[1-[3-chloro-4-[3-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxypropoxy]phenyl]ethylidene]-2-hydroxy-1,3-thiazol-3-ium-4-one
CID 143044574
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
(5E)-5-[1-[3-chloro-4-[2-[2-(2-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-chlorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-[2-[2-(3,4-difluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[3-fluoro-4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[1-[4-[2-[2-(4-fluorophenyl)-1-methyl-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-2-methylidene-5-[1-[3-[2-[1-methyl-2-(4-methylcyclohexyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]ethylidene]-1,3-thiazolidin-4-one
CID 158390896
4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
CID 154491155
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one?
The IUPAC name of 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one (CID 68958008) is 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one?
The canonical SMILES for 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one is CC(=O)c1ccc(OCCOc2c(-c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one?
The InChIKey is NRLJEULTRCZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO4/c1-17(29)18-9-13-21(14-10-18)31-15-16-32-26-24(19-7-11-20(27)12-8-19)28(2)23-6-4-3-5-22(23)25(26)30/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one?
3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one has a molecular weight of 447.92 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 68958008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).